pqdm_potential_curve.tar.gz (1.31 MB)
Research Data for "Classification and quantitative characterisation of the excited states of π-conjugated diradicals"
Research Data for "Classification and quantitative characterisation of the excited states of π-conjugated diradicals" by L. Matasović, H. Bronstein, R. H. Friend, and F. Plasser.
Content
Input/output files of OpenMolcas and molecular geometries for pQDM potential curve as described in the article.
History
School
- Science
Department
- Chemistry
